CID 68852524

929625-08-1

Structural Information

Molecular Formula
C18H30O
SMILES
CC(CO)C1=C2C(C3CCC2(C3)C(CC1)(C)C)(C)C
InChI
InChI=1S/C18H30O/c1-12(11-19)14-7-8-16(2,3)18-9-6-13(10-18)17(4,5)15(14)18/h12-13,19H,6-11H2,1-5H3
InChIKey
MNHPIPXJWPEIDB-UHFFFAOYSA-N
Compound name
2-(2,2,7,7-tetramethyl-5-tricyclo[6.2.1.01,6]undec-5-enyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

88
Patents

262.22968 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.236956 166.7
[M+Na]+ 285.218898 174.0
[M-H]- 261.222404 169.7
[M+NH4]+ 280.263503 194.9
[M+K]+ 301.192838 169.2
[M+H-H2O]+ 245.226940 163.5
[M+HCOO]- 307.227881 181.1
[M+CH3COO]- 321.243531 199.0
[M+Na-2H]- 283.204346 167.3
[M]+ 262.22913142 165.9
[M]- 262.23022858 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe